SCHEMBL23457444

SCHEMBL23457444

COc1cc2ccnc(Cc3ccc(C)c(C)c3)c2cc1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 11/20 0.78
PDE3A Q14432 8/20 0.78
PDE3B Q13370 7/20 0.78
SMN1; SMN2 Q16637 5/20 0.78
CYP3A4 P08684 4/20 0.78
MAPK1 P28482 4/20 0.78
LMNA P02545 3/20 0.78
USP2 O75604 2/20 0.78
ALDH1A1 P00352 2/20 0.78
HIF1A Q16665 2/20 0.78
CYP1A2 P05177 2/20 0.78
CYP2C9 P11712 2/20 0.78
TSHR P16473 2/20 0.78
PDE4A P27815 2/20 0.78
KCNH2 Q12809 2/20 0.78
PDE4D Q08499 2/20 0.78
RAB9A P51151 2/20 0.78
PDE2A O00408 1/20 0.78
ABCC4 O15439 1/20 0.78
PDE5A O76074 1/20 0.78

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Papaverine SCHEMBL29360983 0.87 PDE10A (1.00) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
Papaverine SCHEMBL29387160 0.87 PDE10A (1.00) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
Papaverine SCHEMBL34702 0.87 PDE10A (1.00) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
Papaverine SCHEMBL9551009 0.87 PDE10A (1.00) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
SCHEMBL129949 0.87 PDE10A (0.59) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
SCHEMBL23457840 0.86 PDE10A (0.69) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
Papaverine SCHEMBL29696479 0.86 PDE10A (1.00) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
Papaverine SCHEMBL29356374 0.86 PDE10A (1.00) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
Papaverine SCHEMBL8691148 0.86 PDE10A (0.97) PDE10APDE3APDE3BSMN1; SMN2CYP3A4
Papaverine SCHEMBL677440 0.86 PDE10A (0.97) PDE10APDE3APDE3BSMN1; SMN2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163453-A1 DERIVATIVES OF PAPAVERINE THAT ARE EFFECTIVE HYPOXIC TUMOR RADIOSENSITIZERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210163453-A1 DERIVATIVES OF PAPAVERINE THAT ARE EFFECTIVE HYPOXIC TUMOR RADIOSENSITIZERS HIF1AN, HIF1A, HYOU1 PDE10A 590/4885PDE3A 266/4885PDE3B 359/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.